3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide

C11H10ClF2N3O2S — CID 167972539

IUPAC3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(CCF)n1)c1cccc(Cl)c1F
InChIInChI=1S/C11H10ClF2N3O2S/c12-8-2-1-3-9(11(8)14)20(18,19)16-10-4-6-17(15-10)7-5-13/h1-4,6H,5,7H2,(H,15,16)
InChIKeyPOYPXVVMRBJUMJ-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.45
Rot. Bonds5

About 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide

3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 167972539) has the molecular formula C11H10ClF2N3O2S and a molecular weight of 321.74 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID167972539
Molecular FormulaC11H10ClF2N3O2S
Molecular Weight321.74 g/mol
Exact Mass321.02
IUPAC Name3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(CCF)n1)c1cccc(Cl)c1F
InChIInChI=1S/C11H10ClF2N3O2S/c12-8-2-1-3-9(11(8)14)20(18,19)16-10-4-6-17(15-10)7-5-13/h1-4,6H,5,7H2,(H,15,16)
InChIKeyPOYPXVVMRBJUMJ-UHFFFAOYSA-N
XLogP2.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
4-chloro-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 3601935
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 4791928
3-chloro-2-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808894
{1-[(2-Chloro-6-fluorophenyl)methyl]pyrazol-3-yl}(ethylsulfonyl)amine
CID 17374646
N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 19582324
4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207461
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808931
4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 25335240
3,5-dichloro-N-(1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
CID 25501843
2,4-difluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 53618798

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide (CID 167972539) is 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(CCF)n1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is POYPXVVMRBJUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O2S/c12-8-2-1-3-9(11(8)14)20(18,19)16-10-4-6-17(15-10)7-5-13/h1-4,6H,5,7H2,(H,15,16).
What are the key properties of 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide?
3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 321.74 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 167972539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).